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Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would allow for gradient-based parameter optimization, the nonlinear dynamics of ODEs often lead to many local minima and extreme sensitivity to initial conditions. We therefore propose diffusion tempering, a novel regularization technique for probabilistic numerical methods which improves convergence of gradient-based parameter optimization in ODEs. By iteratively reducing a noise parameter of the probabilistic integrator, the proposed method converges more reliably to the true parameters. We demonstrate that our method is effective for dynamical systems of different complexity and show that it obtains reliable parameter estimates for a Hodgkin-Huxley model with a practically relevant number of parameters.

Metamaterials with functional responses, such as wave-based responses or deformation-induced property variation under external stimuli, can exhibit varying properties or functionalities under different conditions. Herein, we aim at rapid inverse design of these metamaterials to meet target qualitative functional behaviors. This inverse problem is challenging due to its intractability and the existence of non-unique solutions. Past works mainly focus on deep-learning-based methods that are data-demanding, require time-consuming training and hyperparameter tuning, and are non-interpretable. To overcome these limitations, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), an iteration-free, single-shot inverse design method to achieve the fast generation of metamaterial designs with on-demand functional behaviors. Unlike most existing methods, by exploiting the interpretability of the random forest, we eliminate the need to train an inverse model mapping responses to designs. Based on the likelihood of target satisfaction derived from the trained forward model, one can sample design solutions using Markov chain Monte Carlo methods. The RIGID method therefore functions as a generative model that captures the conditional distribution of satisfying solutions given a design target. We demonstrate the effectiveness and efficiency of RIGID on both acoustic and optical metamaterial design problems where only small datasets (less than 250 training samples) are available. Synthetic design problems are created to further illustrate and validate the mechanism of likelihood estimation in RIGID. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design and eliminating its large data requirement.

Stochastic approximation is a class of algorithms that update a vector iteratively, incrementally, and stochastically, including, e.g., stochastic gradient descent and temporal difference learning. One fundamental challenge in analyzing a stochastic approximation algorithm is to establish its stability, i.e., to show that the stochastic vector iterates are bounded almost surely. In this paper, we extend the celebrated Borkar-Meyn theorem for stability from the Martingale difference noise setting to the Markovian noise setting, which greatly improves its applicability in reinforcement learning, especially in those off-policy reinforcement learning algorithms with linear function approximation and eligibility traces. Central to our analysis is the diminishing asymptotic rate of change of a few functions, which is implied by both a form of strong law of large numbers and a commonly used V4 Lyapunov drift condition and trivially holds if the Markov chain is finite and irreducible.

Distributed deep neural networks (DNNs) have emerged as a key technique to reduce communication overhead without sacrificing performance in edge computing systems. Recently, entropy coding has been introduced to further reduce the communication overhead. The key idea is to train the distributed DNN jointly with an entropy model, which is used as side information during inference time to adaptively encode latent representations into bit streams with variable length. To the best of our knowledge, the resilience of entropy models is yet to be investigated. As such, in this paper we formulate and investigate the resilience of entropy models to intentional interference (e.g., adversarial attacks) and unintentional interference (e.g., weather changes and motion blur). Through an extensive experimental campaign with 3 different DNN architectures, 2 entropy models and 4 rate-distortion trade-off factors, we demonstrate that the entropy attacks can increase the communication overhead by up to 95%. By separating compression features in frequency and spatial domain, we propose a new defense mechanism that can reduce the transmission overhead of the attacked input by about 9% compared to unperturbed data, with only about 2% accuracy loss. Importantly, the proposed defense mechanism is a standalone approach which can be applied in conjunction with approaches such as adversarial training to further improve robustness. Code will be shared for reproducibility.

Forming oral models capable of understanding the complete dynamics of the oral cavity is vital across research areas such as speech correction, designing foods for the aging population, and dentistry. Magnetic resonance imaging (MRI) technologies, capable of capturing oral data essential for creating such detailed representations, offer a powerful tool for illustrating articulatory dynamics. However, its real-time application is hindered by expense and expertise requirements. Ever advancing generative AI approaches present themselves as a way to address this barrier by leveraging multi-modal approaches for generating pseudo-MRI views. Nonetheless, this immediately sparks ethical concerns regarding the utilisation of a technology with the capability to produce MRIs from facial observations. This paper explores the ethical implications of external-to-internal correlation modeling (E2ICM). E2ICM utilises facial movements to infer internal configurations and provides a cost-effective supporting technology for MRI. In this preliminary work, we employ Pix2PixGAN to generate pseudo-MRI views from external articulatory data, demonstrating the feasibility of this approach. Ethical considerations concerning privacy, consent, and potential misuse, which are fundamental to our examination of this innovative methodology, are discussed as a result of this experimentation.

Structural equation models (SEMs) are commonly used to study the structural relationship between observed variables and latent constructs. Recently, Bayesian fitting procedures for SEMs have received more attention thanks to their potential to facilitate the adoption of more flexible model structures, and variational approximations have been shown to provide fast and accurate inference for Bayesian analysis of SEMs. However, the application of variational approximations is currently limited to very simple, elemental SEMs. We develop mean-field variational Bayes algorithms for two SEM formulations for data that present non-Gaussian features such as skewness and multimodality. The proposed models exploit the use of mixtures of Gaussians, include covariates for the analysis of latent traits and consider missing data. We also examine two variational information criteria for model selection that are straightforward to compute in our variational inference framework. The performance of the MFVB algorithms and information criteria is investigated in a simulated data study and a real data application.

The fusion of causal models with deep learning introducing increasingly intricate data sets, such as the causal associations within images or between textual components, has surfaced as a focal research area. Nonetheless, the broadening of original causal concepts and theories to such complex, non-statistical data has been met with serious challenges. In response, our study proposes redefinitions of causal data into three distinct categories from the standpoint of causal structure and representation: definite data, semi-definite data, and indefinite data. Definite data chiefly pertains to statistical data used in conventional causal scenarios, while semi-definite data refers to a spectrum of data formats germane to deep learning, including time-series, images, text, and others. Indefinite data is an emergent research sphere inferred from the progression of data forms by us. To comprehensively present these three data paradigms, we elaborate on their formal definitions, differences manifested in datasets, resolution pathways, and development of research. We summarize key tasks and achievements pertaining to definite and semi-definite data from myriad research undertakings, present a roadmap for indefinite data, beginning with its current research conundrums. Lastly, we classify and scrutinize the key datasets presently utilized within these three paradigms.

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.